CAS
946605-55-6 Purity
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946605-55-6 Purity
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3-(trifluoromethylthio)benzoic acid
CAS
946-65-6
Catalog Number
ACM946656
Category
Other Products
Molecular Weight
222.18
Molecular Formula
C8H5O2F3S
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What is the molecular formula of 3-(trifluoromethylthio)benzoic acid?
The molecular formula is C8H5F3O2S.
What is the molecular weight of 3-(trifluoromethylthio)benzoic acid?
The molecular weight is 222.19 g/mol.
What is the IUPAC name of 3-(trifluoromethylthio)benzoic acid?
The IUPAC name is 3-(trifluoromethylsulfanyl)benzoic acid.
What is the InChI of 3-(trifluoromethylthio)benzoic acid?
The InChI is InChI=1S/C8H5F3O2S/c9-8(10,11)14-6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13).
What is the InChIKey of 3-(trifluoromethylthio)benzoic acid?
The InChIKey is IVGAPIVNQABETQ-UHFFFAOYSA-N.
What is the canonical SMILES representation of 3-(trifluoromethylthio)benzoic acid?
The canonical SMILES is C1=CC(=CC(=C1)SC(F)(F)F)C(=O)O.
What is the CAS number of 3-(trifluoromethylthio)benzoic acid?
The CAS number is 946-65-6.
What is the EC number of 3-(trifluoromethylthio)benzoic acid?
The EC number is 623-060-5.
What is the ChEMBL ID of 3-(trifluoromethylthio)benzoic acid?
The ChEMBL ID is CHEMBL303005.
Is 3-(trifluoromethylthio)benzoic acid a canonicalized compound?
Yes, 3-(trifluoromethylthio)benzoic acid is a canonicalized compound.
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